Vitas-M small molecule compound

3-({[1-(dimethylamino)cyclohexyl]methyl}amino)-4-[(pyridin-4-ylmethyl)amino]cyclobut-3-ene-1,2-dione

Catalog ID
STL153042
SMILES O=C1C(=O)C(=C1NCc1ccncc1)NCC1(CCCCC1)N(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H26N4O2 MW 342.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O2/c1-23(2)19(8-4-3-5-9-19)13-22-16-15(17(24)18(16)25)21-12-14-6-10-20-11-7-14/h6-7,10-11,21-22H,3-5,8-9,12-13H2,1-2H3
InChIKey
XMAGRSQTNLKKKC-UHFFFAOYSA-N
Synonyms
1282117-89-8
1282117898
3(((1(dimethylamino)cyclohexyl)methyl)amino)4((pyridin4ylmethyl)amino)cyclobut3ene12dione
3((1(dimethylamino)cyclohexyl)methylamino)4(pyridin4ylmethylamino)cyclobut3ene12dione
CN(C)C1(CCCCC1)CNC2=C(C(=O)C2=O)NCC3=CC=NC=C3
InChI=1SC19H26N4O2c123(2)19(8435919)13221615(17(24)18(16)25)2112146102011714h6710112122H35891213H212H3
MFCD18798629
ZINC000101697513
ZINC101697513

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.